(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide

C24H21F4N3O2 — CID 177158129

IUPAC(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
SMILESC[C@@H]1CN2C=C(c3ccc(O)c(F)c3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1
InChIInChI=1S/C24H21F4N3O2/c1-12-10-31-11-15(14-6-7-20(32)19(25)9-14)8-18(23(31)29-12)24(33)30-13(2)16-4-3-5-17(21(16)26)22(27)28/h3-9,11-13,22,32H,10H2,1-2H3,(H,30,33)/t12-,13-/m1/s1
InChIKeyDNROARJIURFFPM-CHWSQXEVSA-N
MW459.44 g/mol
LogP4.87
Rot. Bonds5

About (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide

(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 177158129) has the molecular formula C24H21F4N3O2 and a molecular weight of 459.44 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID177158129
Molecular FormulaC24H21F4N3O2
Molecular Weight459.44 g/mol
Exact Mass459.16
IUPAC Name(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
SMILESC[C@@H]1CN2C=C(c3ccc(O)c(F)c3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1
InChIInChI=1S/C24H21F4N3O2/c1-12-10-31-11-15(14-6-7-20(32)19(25)9-14)8-18(23(31)29-12)24(33)30-13(2)16-4-3-5-17(21(16)26)22(27)28/h3-9,11-13,22,32H,10H2,1-2H3,(H,30,33)/t12-,13-/m1/s1
InChIKeyDNROARJIURFFPM-CHWSQXEVSA-N
XLogP4.87
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide with MolForge

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Related Compounds

N-[(3-fluoro-4-hydroxyphenyl)-phenylmethyl]-6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxamide
CID 166634408
Dehydrocoelenterazine
CID 131841504
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[1-(3-fluoro-4-hydroxyphenyl)-3,4-dioxopentan-2-yl]acetamide
CID 15907959
N-[(3,4-difluorophenyl)methyl]-6-[4-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methyl-2,3-dihydropyridine-3-carboxamide
CID 143279531
(2R)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-(4-hydroxycyclohexen-1-yl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 176408865
(2R)-6-bromo-N-[(1R)-1-[3-hydroxy-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 176408977
N-[1-[2-(4-hydroxyphenyl)ethyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]acetamide
CID 4905877
6-[(2-Hydroxy-5-methylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918062
N-[1-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-1-methyl-5-oxoimidazol-2-yl]-2-phenylethyl]acetamide
CID 53244260

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide (CID 177158129) is (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide is C[C@@H]1CN2C=C(c3ccc(O)c(F)c3)C=C(C(=O)N[C@H](C)c3cccc(C(F)F)c3F)C2=N1.
What is the InChIKey of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is DNROARJIURFFPM-CHWSQXEVSA-N. The full InChI is InChI=1S/C24H21F4N3O2/c1-12-10-31-11-15(14-6-7-20(32)19(25)9-14)8-18(23(31)29-12)24(33)30-13(2)16-4-3-5-17(21(16)26)22(27)28/h3-9,11-13,22,32H,10H2,1-2H3,(H,30,33)/t12-,13-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide?
(2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 459.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(3-fluoro-4-hydroxyphenyl)-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 177158129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).